SCHEMBL8718629

SCHEMBL8718629

O=c1[nH]cnn1-c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8872153 0.85 HTT (0.41) USP2MAPTTSHRSMN1; SMN2NPSR1
SCHEMBL8718771 0.85 MMP13 (0.36) MAPTSMN1; SMN2L3MBTL1
SCHEMBL8721252 0.82 PTGS1 (0.40) SMN1; SMN2
SCHEMBL8723274 0.78 USP2 (0.46) USP2MAPTTSHRCYP1A2CYP2C19
SCHEMBL8718743 0.78 USP2 (0.46) USP2MAPTTSHRCYP1A2CYP2C19
SCHEMBL8718610 0.77 POLB (0.39) MAPTTSHRSMN1; SMN2L3MBTL1
SCHEMBL8721136 0.73 L3MBTL1 (0.51) MAPTRECQLL3MBTL1
SCHEMBL22710206 0.69 MAPT (0.55) USP2MAPTTSHRCYP1A2CYP2C19
SCHEMBL13610242 0.69 MAPT (0.55) USP2MAPTTSHRCYP1A2CYP2C19
SCHEMBL3235736 0.68 ATM (0.47) MAPTCYP2C9NPSR1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567982-B1 Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
US-5466820-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-14 US disclosed
US-5371101-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 EP disclosed